CAS RN: 1093073-40-5
ethyl 6-fluoro-4-hydroxy-2-naphthoate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1093073-40-5
- Purity/Analytical Methods: >99.0%
1093073-40-5 / ethyl 6-fluoro-4-hydroxynaphthalene-2-carboxylate
Ethyl 6-fluoro-4-hydroxy-2-naphthoate | ethyl 6-fluoro-4-hydroxynaphthalene-2-carboxylate | Ethyl6-fluoro-4-hydroxy-2-naphthoate
Basic Information
CAS
1093073-40-5
Multi CAS
No
Molecular Formula
C13H11FO3
Molecular Weight
234.220000
Exact Mass
234.069222
SMILES
CCOC(=O)C1=CC(=C2C=C(C=CC2=C1)F)O
InChI
InChI=1S/C13H11FO3/c1-2-17-13(16)9-5-8-3-4-10(14)7-11(8)12(15)6-9/h3-7,15H,2H2,1H3
InChIKey
LVDKTCMSIQDCMA-UHFFFAOYSA-N
Synonyms
Ethyl 6-fluoro-4-hydroxy-2-naphthoate
ethyl 6-fluoro-4-hydroxynaphthalene-2-carboxylate
Ethyl6-fluoro-4-hydroxy-2-naphthoate
2-Naphthalenecarboxylic acid, 6-fluoro-4-hydroxy-, ethyl ester
SCHEMBL30260014
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.53
TPSA
46.53
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
3.1
Consensus LogP
2.83
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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